From Molecules to Molecular Systems

From Molecules to Molecular Systems

Author: Saburo Nagakura

Publisher: Springer Science & Business Media

Published: 2013-03-14

Total Pages: 340

ISBN-13: 4431668683

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Molecular systems are assemblies of molecules designed to possess special qualities and desired functionality. Such systems are important because they provide materials with novel properties, and they will be particularly useful for minimizing electronic devices. Molecular systems often form organized molecular crystals, polymers, or thin films that are significantly more complex than current materials. To provide a sound basis for understanding these levels of complexity, this book provides an analysis of the fundamentals of electronic structures, dynamic processes in condensed phases, and the unique properties of organic molecular solids and the environmental effects on these properties. Also covered are the latest methods in physical chemistry that are particularly useful for deriving and controlling the functionality of molecular systems. A second volume subtitled From Molecular Systems to Molecular Devices is also being published.


Self-Organization of Molecular Systems

Self-Organization of Molecular Systems

Author: Nino Russo

Publisher: Springer Science & Business Media

Published: 2009-05-21

Total Pages: 400

ISBN-13: 9048125901

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Proceedings of the NATO Advanced Research Workshop on Molecular Self-Organization: From Molecules to Water, to Nanoparticles, to DNA and Proteins Kyiv, Ukraine 8-12 June 2008


Molecules in Physics, Chemistry, and Biology

Molecules in Physics, Chemistry, and Biology

Author: J. Maruani

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 699

ISBN-13: 9400928513

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Volume 1: General Introduction to Molecular Sciences Volume 2: Physical Aspects of Molecular Systems Volume 3: Electronic Structure and Chemical Reactivity Volume 4: Molecular Phenomena in Biological Sciences


Functionality of Molecular Systems

Functionality of Molecular Systems

Author: Kenichi Honda

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 255

ISBN-13: 4431685502

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Molecular systems are assemblies of molecules designed to possess special qualities and desired functionality. Such systems are important because they provide materials with novel properties, and they will be particularly useful for minimizing electronic devices. In this two volume work, the first volume, subtitled 'From Molecules to Molecular Systems', covered the fundamentals of molecular design, while volume 2 deals with the potential applications of molecular systems. Information transduction and energy conversion are the basis of any practical device, and these considerations, along with the required interconnections and interfaces, are analyzed to produce the architectural design for a molecular system. The preparation of molecular systems is also considered, including that of self-organizing molecular assemblies, ultrathin films, and ultrafine particles.


Molecules in Physics, Chemistry, and Biology

Molecules in Physics, Chemistry, and Biology

Author: J. Maruani

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 266

ISBN-13: 9400928491

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Volume 1: General Introduction to Molecular Sciences Volume 2: Physical Aspects of Molecular Systems Volume 3: Electronic Structure and Chemical Reactivity Volume 4: Molecular Phenomena in Biological Sciences


Structure and Dynamics of Molecular Systems

Structure and Dynamics of Molecular Systems

Author: R. Daudel

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 278

ISBN-13: 9400953518

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This volume is the first of a set of two which contain the invited lectures given at the international seminar of the same title held at the Centre de Mecanique Ondulatoire Appliquee du Centre National de la Recherche Scientifique in Paris (France) from October 1983 to May 1985. They are intended to provide a survey of topics of current interest relative to the structure and the dynamics of molecular systems. The papers have been selected on the basis of their relevance to the following four topics: i) molecular conformations and transformations; ii) molecular relaxation and motion; iii) charge, spin and momentum distributions in molecular solids; iv) collective phenomena in condensed matter. The first volume deals f)1ostly with the first two topics, the second volume mostly with the last two. Each volume consists of about fifteen self contained, reference contributions covering recent achievements in active branches of molecular physics and physical chemistry. The first four papers of the present volume deal with theoretical aspects of structure and reactivity problems, with particular attention being paid to topology considerations, which have joined symmetry con siderations as an important tool in approaching chemistry problems. The treatment of nuclear probability density distributions is performed on a model basis for a simple system, even though it has come to the attention of theoreticians through experimental results for complex systems.


A Practical Introduction to the Simulation of Molecular Systems

A Practical Introduction to the Simulation of Molecular Systems

Author: Martin J. Field

Publisher: Cambridge University Press

Published: 2007-07-19

Total Pages: 294

ISBN-13: 1139465813

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Molecular simulation is a powerful tool in materials science, physics, chemistry and biomolecular fields. This updated edition provides a pragmatic introduction to a wide range of techniques for the simulation of molecular systems at the atomic level. The first part concentrates on methods for calculating the potential energy of a molecular system, with new chapters on quantum chemical, molecular mechanical and hybrid potential techniques. The second part describes methods examining conformational, dynamical and thermodynamical properties of systems, covering techniques including geometry-optimization, normal-mode analysis, molecular dynamics, and Monte Carlo simulation. Using Python, the second edition includes numerous examples and program modules for each simulation technique, allowing the reader to perform the calculations and appreciate the inherent difficulties involved in each. This is a valuable resource for researchers and graduate students wanting to know how to use atomic-scale molecular simulations. Supplementary material, including the program library and technical information, available through www.cambridge.org/9780521852524.